==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-APR-09 3GZH . COMPND 2 MOLECULE: ADENYLOSUCCINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.KOZLOV,K.GEHRING,MONTREAL-KINGSTON BACTERIAL STRUCTURAL GE . 469 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 15 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 49.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 2 1 2 2 1 1 1 1 1 0 0 0 1 1 1 2 0 1 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -12 A Y 0 0 280 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 50.3 44.2 -57.4 36.3 2 -11 A D - 0 0 108 1,-0.0 3,-0.0 3,-0.0 0, 0.0 -0.407 360.0-146.7 -65.1 139.2 41.9 -57.0 33.2 3 -10 A I - 0 0 135 -2,-0.1 -1,-0.0 1,-0.1 2,-0.0 -0.735 30.1 -79.9-109.2 157.0 43.6 -57.8 29.9 4 -9 A P + 0 0 128 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.323 53.0 173.8 -58.5 133.1 43.0 -56.1 26.5 5 -8 A T - 0 0 94 -3,-0.0 3,-0.2 -2,-0.0 -3,-0.0 -0.853 30.3-135.6-135.8 170.9 40.0 -57.5 24.6 6 -7 A T > + 0 0 114 -2,-0.3 3,-1.3 1,-0.1 0, 0.0 -0.035 62.0 118.3-128.2 32.7 38.3 -56.5 21.4 7 -6 A E T 3 S+ 0 0 116 1,-0.2 -1,-0.1 3,-0.0 0, 0.0 0.796 83.1 53.5 -65.7 -26.1 34.5 -56.6 22.0 8 -5 A N T 3 S+ 0 0 56 -3,-0.2 -1,-0.2 2,-0.1 92,-0.2 0.347 78.1 128.1 -90.0 1.7 34.6 -52.8 21.1 9 -4 A L < - 0 0 104 -3,-1.3 2,-0.7 91,-0.1 -3,-0.1 -0.371 43.5-160.5 -64.5 131.3 36.4 -53.1 17.8 10 -3 A Y - 0 0 64 -2,-0.1 2,-0.6 2,-0.0 87,-0.1 -0.917 19.4-179.5-108.8 102.7 34.6 -51.3 15.0 11 -2 A F - 0 0 159 -2,-0.7 2,-0.9 86,-0.0 -2,-0.0 -0.915 20.9-164.2-113.2 115.5 36.1 -52.9 11.9 12 -1 A Q - 0 0 130 -2,-0.6 -2,-0.0 1,-0.0 0, 0.0 -0.850 23.2-160.4 -87.9 107.1 35.1 -51.9 8.4 13 0 A G - 0 0 52 -2,-0.9 3,-0.2 1,-0.1 -1,-0.0 0.124 31.4-104.0 -70.5-166.5 36.4 -54.8 6.2 14 1 A S S S+ 0 0 105 1,-0.1 -1,-0.1 3,-0.0 -2,-0.0 0.275 93.3 102.8-101.8 8.2 37.0 -54.7 2.5 15 2 A E + 0 0 84 1,-0.0 2,-0.5 5,-0.0 -1,-0.1 0.861 60.8 77.4 -63.5 -41.7 33.8 -56.7 1.8 16 3 A L + 0 0 137 -3,-0.2 2,-0.3 3,-0.1 -1,-0.0 -0.603 49.7 134.4 -84.7 121.3 31.5 -53.8 0.6 17 4 A S S >> S- 0 0 58 -2,-0.5 4,-1.5 1,-0.0 3,-0.6 -0.872 70.8 -90.7-141.6 177.5 31.8 -52.3 -2.9 18 5 A S T 34 S+ 0 0 71 -2,-0.3 12,-0.1 1,-0.2 10,-0.1 0.821 127.0 57.2 -62.2 -28.4 29.1 -51.4 -5.5 19 6 A L T 34 S+ 0 0 160 1,-0.2 -1,-0.2 8,-0.1 9,-0.1 0.846 115.3 33.0 -67.8 -35.6 29.6 -54.9 -6.8 20 7 A T T <4 S+ 0 0 84 -3,-0.6 -2,-0.2 -5,-0.1 -1,-0.2 0.467 86.2 121.3-105.5 -2.0 28.7 -56.6 -3.5 21 8 A A < - 0 0 21 -4,-1.5 7,-0.2 5,-0.2 6,-0.1 -0.359 57.0-143.8 -57.5 136.4 26.1 -54.1 -2.0 22 9 A V S S+ 0 0 152 5,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 0.921 85.5 62.4 -70.1 -42.6 22.7 -55.8 -1.3 23 10 A S S >> S- 0 0 39 1,-0.1 4,-1.3 4,-0.1 3,-1.1 -0.666 75.8-144.6 -86.0 135.2 20.7 -52.6 -2.4 24 11 A P T 34>S+ 0 0 49 0, 0.0 5,-2.8 0, 0.0 6,-0.2 0.658 97.5 74.4 -71.9 -11.4 21.1 -51.4 -6.0 25 12 A V T 345S+ 0 0 9 1,-0.2 8,-0.2 3,-0.1 7,-0.1 0.811 114.6 22.8 -66.7 -30.5 20.9 -47.9 -4.6 26 13 A D T <45S+ 0 0 86 -3,-1.1 -1,-0.2 -8,-0.1 -5,-0.2 0.517 134.2 44.6-103.7 -11.5 24.5 -48.5 -3.4 27 14 A G T ><5S+ 0 0 5 -4,-1.3 3,-2.4 -7,-0.1 4,-0.3 0.645 123.8 6.0 -96.9-109.9 25.2 -51.2 -5.9 28 15 A R T 3 5S+ 0 0 213 1,-0.3 3,-0.2 -7,-0.2 -3,-0.1 0.762 142.2 33.6 -50.9 -38.1 24.3 -51.1 -9.6 29 16 A Y T >>4 + 0 0 63 -3,-0.4 3,-0.8 1,-0.3 4,-0.5 0.837 69.2 64.7 -57.4 -33.6 26.4 -40.1 -5.1 35 22 A A G >4 S+ 0 0 54 1,-0.2 3,-0.7 -3,-0.2 -1,-0.3 0.826 98.1 55.8 -54.1 -32.1 24.9 -36.7 -4.0 36 23 A L G X>>S+ 0 0 9 -3,-1.8 4,-2.9 1,-0.2 3,-2.0 0.777 88.2 74.8 -79.0 -24.2 22.9 -38.5 -1.3 37 24 A R G <<5S+ 0 0 115 -4,-0.8 7,-0.4 -3,-0.8 4,-0.3 0.770 96.3 50.1 -57.6 -27.8 25.9 -40.2 0.4 38 25 A G G <45S+ 0 0 44 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.533 122.8 32.9 -85.4 -4.4 26.8 -36.8 2.0 39 26 A I T <45S+ 0 0 10 -3,-2.0 -2,-0.2 -4,-0.1 9,-0.2 0.797 125.1 24.0-115.4 -55.8 23.2 -36.4 3.2 40 27 A F T <5S+ 0 0 20 -4,-2.9 320,-0.3 4,-0.1 -3,-0.2 0.497 92.9 98.1-107.3 -5.2 21.4 -39.5 4.2 41 28 A S S > S+ 0 0 71 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.927 128.3 52.5 -63.5 -38.9 25.3 -42.7 8.6 43 30 A Y H > S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.929 109.6 48.5 -55.6 -46.6 28.2 -40.4 8.0 44 31 A G H > S+ 0 0 0 -7,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.911 112.6 47.4 -64.7 -42.2 25.8 -37.7 6.7 45 32 A L H X S+ 0 0 9 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.895 112.5 49.3 -63.2 -47.8 23.5 -38.1 9.8 46 33 A L H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.912 109.5 53.6 -59.6 -41.3 26.5 -38.0 12.2 47 34 A K H X S+ 0 0 62 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.905 110.5 44.6 -62.5 -47.2 27.8 -34.9 10.5 48 35 A F H X S+ 0 0 25 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.845 111.5 53.6 -63.6 -37.5 24.5 -33.0 10.9 49 36 A R H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.918 108.7 50.1 -61.7 -43.1 24.2 -34.1 14.6 50 37 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.934 110.6 50.3 -59.8 -46.5 27.7 -32.8 15.2 51 38 A Q H X S+ 0 0 47 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.931 111.9 46.4 -56.9 -49.7 26.7 -29.5 13.5 52 39 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.918 112.9 49.3 -61.7 -43.3 23.5 -29.2 15.6 53 40 A E H X S+ 0 0 3 -4,-2.6 4,-1.9 2,-0.2 78,-0.3 0.879 112.8 47.3 -63.9 -40.3 25.4 -30.0 18.9 54 41 A V H X S+ 0 0 5 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.930 112.2 49.9 -68.7 -44.0 28.1 -27.5 18.2 55 42 A R H X S+ 0 0 73 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.818 107.9 53.9 -61.8 -37.3 25.6 -24.8 17.3 56 43 A W H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.949 110.1 46.7 -59.8 -53.1 23.6 -25.4 20.5 57 44 A L H X S+ 0 0 6 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.901 110.6 53.9 -55.3 -45.3 26.7 -24.9 22.6 58 45 A Q H X S+ 0 0 34 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.873 108.0 49.0 -60.3 -37.5 27.6 -21.8 20.7 59 46 A K H X S+ 0 0 40 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.900 109.2 52.1 -70.8 -37.6 24.1 -20.3 21.4 60 47 A L H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 6,-0.3 0.932 110.8 49.5 -59.8 -45.7 24.5 -21.1 25.1 61 48 A A H 3< S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.846 111.8 47.5 -57.5 -40.4 27.8 -19.2 25.0 62 49 A A H 3< S+ 0 0 83 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.2 0.607 90.1 97.2 -85.0 -8.3 26.3 -16.2 23.3 63 50 A H X< - 0 0 48 -4,-1.0 3,-1.2 -3,-0.6 6,-0.2 -0.706 66.4-148.3 -87.0 124.3 23.3 -16.0 25.6 64 51 A A T 3 S+ 0 0 91 -2,-0.5 -1,-0.1 1,-0.3 7,-0.0 0.689 91.5 54.6 -67.0 -22.8 23.9 -13.4 28.4 65 52 A A T 3 S+ 0 0 48 1,-0.2 2,-1.3 2,-0.1 -1,-0.3 0.574 88.7 78.7 -90.5 -10.7 21.8 -15.1 31.1 66 53 A I X + 0 0 2 -3,-1.2 3,-1.0 -6,-0.3 -1,-0.2 -0.731 60.1 169.2 -96.8 84.3 23.7 -18.4 30.9 67 54 A K T 3 + 0 0 171 -2,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.741 63.6 67.5 -75.9 -21.2 26.6 -17.1 32.9 68 55 A E T 3 S+ 0 0 112 1,-0.2 -1,-0.2 -3,-0.2 -7,-0.1 0.593 96.0 57.8 -77.2 -14.7 28.3 -20.5 33.3 69 56 A V S < S- 0 0 1 -3,-1.0 -1,-0.2 -9,-0.2 -3,-0.1 -0.877 86.8-153.2-112.7 92.3 29.1 -20.7 29.6 70 57 A P - 0 0 78 0, 0.0 -8,-0.1 0, 0.0 -9,-0.1 -0.316 31.7 -85.0 -65.3 148.0 31.2 -17.6 28.9 71 58 A A - 0 0 77 1,-0.1 2,-0.3 -9,-0.1 -9,-0.1 -0.214 52.9-112.8 -50.6 139.1 31.2 -16.1 25.4 72 59 A F - 0 0 23 -14,-0.2 -1,-0.1 -3,-0.1 2,-0.1 -0.601 20.4-125.0 -83.7 138.4 33.8 -17.8 23.3 73 60 A A > - 0 0 50 -2,-0.3 4,-2.6 1,-0.1 3,-0.3 -0.359 35.0-101.5 -66.0 158.8 36.9 -16.1 22.0 74 61 A A H > S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.870 124.0 57.2 -48.1 -45.4 37.5 -16.2 18.1 75 62 A D H > S+ 0 0 143 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.920 109.8 43.0 -50.6 -54.7 40.1 -19.0 18.7 76 63 A A H > S+ 0 0 2 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.903 111.4 53.7 -62.3 -47.3 37.4 -21.2 20.4 77 64 A I H X S+ 0 0 75 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.929 110.2 49.2 -53.6 -46.3 34.7 -20.4 17.9 78 65 A G H X S+ 0 0 37 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.851 107.7 52.4 -62.6 -39.2 37.1 -21.4 15.1 79 66 A Y H X S+ 0 0 61 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.920 112.7 45.4 -65.2 -43.1 38.0 -24.7 16.7 80 67 A L H X S+ 0 0 3 -4,-2.2 4,-1.6 2,-0.2 3,-0.3 0.930 111.8 51.9 -62.0 -48.6 34.3 -25.7 17.1 81 68 A D H X S+ 0 0 61 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.841 108.5 51.5 -57.1 -37.5 33.5 -24.6 13.5 82 69 A A H X S+ 0 0 45 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.801 102.0 59.8 -71.0 -32.3 36.4 -26.8 12.2 83 70 A I H < S+ 0 0 7 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.942 113.9 38.7 -56.9 -45.8 35.1 -29.8 14.1 84 71 A V H >< S+ 0 0 13 -4,-1.6 3,-1.1 2,-0.2 -2,-0.2 0.960 120.9 42.8 -68.4 -54.8 31.9 -29.4 12.1 85 72 A A H 3< S+ 0 0 73 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.841 120.0 40.3 -66.8 -37.0 33.5 -28.4 8.7 86 73 A N T 3< S+ 0 0 88 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.198 77.8 149.0-100.8 15.5 36.3 -31.0 8.8 87 74 A F < - 0 0 5 -3,-1.1 2,-0.2 -4,-0.1 -3,-0.1 -0.273 30.8-166.0 -52.7 125.3 34.2 -33.8 10.2 88 75 A S > - 0 0 42 1,-0.1 4,-2.3 -41,-0.0 5,-0.1 -0.617 38.5-108.0-116.7 168.9 35.7 -37.0 8.7 89 76 A E H > S+ 0 0 143 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.857 122.7 56.5 -62.9 -33.5 35.0 -40.7 8.2 90 77 A E H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.911 106.5 49.0 -61.4 -42.5 37.7 -41.3 10.9 91 78 A D H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.927 110.6 50.2 -58.3 -46.5 35.6 -39.1 13.2 92 79 A A H X S+ 0 0 11 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.910 108.4 53.2 -59.4 -41.1 32.5 -41.1 12.3 93 80 A A H X S+ 0 0 30 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.852 106.2 53.4 -63.3 -34.8 34.5 -44.3 13.1 94 81 A R H X S+ 0 0 106 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.945 109.3 47.8 -62.0 -47.6 35.3 -42.8 16.5 95 82 A I H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.928 111.7 50.3 -59.2 -46.1 31.6 -42.2 17.2 96 83 A K H X S+ 0 0 33 -4,-2.8 4,-1.0 2,-0.2 -1,-0.2 0.869 109.4 51.8 -61.5 -37.0 30.9 -45.8 16.0 97 84 A T H >X S+ 0 0 61 -4,-2.2 3,-0.7 2,-0.2 4,-0.6 0.943 109.6 48.6 -64.8 -46.2 33.6 -47.2 18.3 98 85 A I H >X S+ 0 0 33 -4,-2.5 4,-2.5 1,-0.2 3,-1.7 0.908 105.9 58.5 -58.5 -41.3 32.1 -45.3 21.3 99 86 A E H 3X S+ 0 0 41 -4,-2.4 4,-2.6 1,-0.3 -1,-0.2 0.766 91.3 68.9 -62.8 -24.6 28.6 -46.7 20.3 100 87 A R H << S+ 0 0 138 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.830 112.4 33.2 -65.5 -26.1 30.0 -50.2 20.8 101 88 A T H << S+ 0 0 98 -3,-1.7 -2,-0.2 -4,-0.6 -1,-0.2 0.890 126.5 37.1 -87.4 -52.6 30.1 -49.2 24.4 102 89 A T H < S- 0 0 38 -4,-2.5 -3,-0.2 2,-0.1 -2,-0.2 0.797 80.3-150.0 -73.8 -28.6 27.1 -46.9 24.8 103 90 A N S < S+ 0 0 149 -4,-2.6 2,-0.3 -5,-0.2 -3,-0.1 0.845 73.6 99.6 54.2 33.1 24.7 -48.8 22.5 104 91 A H > - 0 0 83 1,-0.1 4,-1.9 -5,-0.1 5,-0.1 -0.868 62.9-159.4-152.8 112.0 23.3 -45.2 22.0 105 92 A D H > S+ 0 0 23 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.867 89.1 46.2 -72.5 -40.3 24.4 -43.1 19.0 106 93 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.869 111.5 51.7 -70.8 -36.8 23.7 -39.6 20.2 107 94 A K H > S+ 0 0 77 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.894 107.9 55.0 -64.7 -36.1 25.4 -40.2 23.6 108 95 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.868 106.3 50.3 -58.3 -41.0 28.4 -41.4 21.5 109 96 A V H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.952 110.6 49.8 -62.1 -48.6 28.3 -38.1 19.6 110 97 A E H X S+ 0 0 8 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.958 114.0 43.9 -51.3 -56.7 28.3 -36.3 23.0 111 98 A Y H X S+ 0 0 106 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.830 112.1 54.5 -59.6 -33.2 31.3 -38.4 24.3 112 99 A F H X S+ 0 0 1 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.932 110.8 45.6 -65.3 -43.7 33.0 -38.0 20.9 113 100 A L H X S+ 0 0 6 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.877 109.1 53.7 -70.2 -38.9 32.7 -34.2 21.3 114 101 A K H X S+ 0 0 28 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.887 112.0 47.0 -58.9 -39.6 33.9 -34.2 24.9 115 102 A E H >< S+ 0 0 114 -4,-1.9 3,-0.8 -5,-0.2 4,-0.3 0.924 109.6 54.6 -65.0 -44.5 37.0 -36.1 23.7 116 103 A K H 3< S+ 0 0 55 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.856 113.4 39.5 -57.5 -41.0 37.5 -33.7 20.8 117 104 A V H >< S+ 0 0 4 -4,-2.0 3,-1.5 1,-0.2 7,-0.5 0.491 86.1 100.3 -92.8 -0.8 37.5 -30.5 23.0 118 105 A A T << S+ 0 0 51 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.1 0.770 82.1 50.1 -54.2 -33.1 39.6 -32.1 25.8 119 106 A E T 3 S+ 0 0 142 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.542 95.8 74.4 -86.1 -15.4 42.9 -30.5 24.6 120 107 A I S X> S- 0 0 33 -3,-1.5 4,-3.4 1,-0.1 3,-0.8 -0.897 70.2-159.4 -99.6 105.4 41.5 -26.9 24.4 121 108 A P H 3> S+ 0 0 105 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.834 88.7 55.6 -60.8 -32.0 41.2 -25.8 28.0 122 109 A E H 34 S+ 0 0 73 2,-0.2 4,-0.3 1,-0.2 -5,-0.0 0.846 116.9 35.8 -64.1 -37.5 38.6 -23.0 27.1 123 110 A L H X4 S+ 0 0 2 -3,-0.8 3,-1.4 -6,-0.2 -1,-0.2 0.875 114.1 56.3 -82.0 -38.3 36.3 -25.6 25.5 124 111 A H H >< S+ 0 0 100 -4,-3.4 3,-1.3 -7,-0.5 4,-0.2 0.810 98.5 65.3 -61.5 -29.3 37.1 -28.4 28.0 125 112 A A T 3< S+ 0 0 80 -4,-1.5 -1,-0.3 -5,-0.3 3,-0.2 0.767 108.9 36.0 -63.3 -29.6 36.0 -25.9 30.7 126 113 A V T X S+ 0 0 4 -3,-1.4 3,-2.1 -4,-0.3 -1,-0.3 0.026 82.4 123.3-112.5 24.1 32.3 -26.0 29.4 127 114 A S G X + 0 0 14 -3,-1.3 3,-1.5 1,-0.3 -1,-0.1 0.814 67.4 57.7 -61.2 -37.8 32.4 -29.7 28.4 128 115 A E G 3 S+ 0 0 141 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.526 95.7 67.6 -75.2 -2.8 29.5 -30.7 30.5 129 116 A F G X S+ 0 0 36 -3,-2.1 3,-1.5 3,-0.1 2,-0.5 0.402 71.1 110.3 -91.8 -0.2 27.4 -28.1 28.6 130 117 A I T < S+ 0 0 10 -3,-1.5 -76,-0.1 1,-0.3 -77,-0.1 -0.680 96.6 5.1 -70.2 125.2 27.7 -30.2 25.4 131 118 A H T > S- 0 0 21 -2,-0.5 3,-1.2 -78,-0.3 -1,-0.3 0.730 94.9-174.0 71.4 27.2 24.1 -31.5 24.9 132 119 A F T < - 0 0 40 -3,-1.5 -1,-0.2 1,-0.3 3,-0.1 -0.332 66.5 -17.1 -66.0 126.8 22.9 -29.4 27.8 133 120 A A T 3 S+ 0 0 22 1,-0.2 90,-0.3 -2,-0.1 97,-0.3 0.326 107.9 133.7 67.3 -5.6 19.2 -30.1 28.7 134 121 A C < - 0 0 16 -3,-1.2 2,-0.3 88,-0.1 -1,-0.2 -0.331 49.0-146.0 -78.0 154.8 18.8 -31.7 25.2 135 122 A T >> - 0 0 21 87,-0.1 3,-1.2 -3,-0.1 4,-0.9 -0.809 33.7-108.3-108.9 155.5 17.2 -35.0 24.4 136 123 A S H >> S+ 0 0 20 -2,-0.3 4,-2.5 1,-0.3 3,-0.9 0.864 119.5 58.1 -47.4 -42.7 18.6 -37.1 21.5 137 124 A E H 3> S+ 0 0 5 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.735 94.5 63.4 -68.9 -23.4 15.5 -36.2 19.4 138 125 A D H <> S+ 0 0 0 -3,-1.2 4,-0.7 2,-0.2 -1,-0.3 0.854 112.7 37.7 -57.3 -37.9 16.3 -32.5 19.7 139 126 A I H S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 4,-1.7 0.902 113.2 48.8 -56.5 -46.3 18.0 -32.9 -0.6 152 139 A R H <>S+ 0 0 18 -4,-2.7 5,-2.5 3,-0.2 -1,-0.2 0.950 120.3 33.7 -59.9 -53.8 15.1 -30.7 -1.7 153 140 A D H <5S+ 0 0 75 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.834 129.1 31.7 -75.3 -33.4 17.1 -27.7 -2.7 154 141 A E H <5S+ 0 0 140 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.703 134.1 12.8-101.9 -23.3 20.3 -29.3 -4.0 155 142 A V T X5S+ 0 0 9 -4,-1.7 4,-1.6 -5,-0.5 -3,-0.2 0.764 122.0 41.4-120.0 -62.0 19.2 -32.6 -5.5 156 143 A I H > S+ 0 0 55 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.920 110.0 46.1 -56.7 -41.3 17.1 -29.3 -9.7 159 146 A Y H X S+ 0 0 51 -4,-1.6 4,-2.4 -3,-0.3 -2,-0.2 0.891 110.8 52.9 -62.5 -41.2 16.2 -32.7 -11.2 160 147 A W H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.906 108.3 51.3 -60.9 -43.4 12.5 -31.7 -11.4 161 148 A R H X S+ 0 0 65 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.884 108.4 50.7 -56.0 -44.2 13.5 -28.6 -13.2 162 149 A Q H X S+ 0 0 102 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.900 113.9 45.2 -62.0 -42.9 15.6 -30.6 -15.8 163 150 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.947 114.2 47.4 -66.5 -49.4 12.6 -32.9 -16.4 164 151 A I H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.978 117.0 44.3 -54.9 -50.3 10.1 -30.1 -16.6 165 152 A D H X S+ 0 0 81 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.874 112.7 51.6 -63.8 -38.4 12.4 -28.2 -19.0 166 153 A G H X S+ 0 0 22 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.886 113.7 43.3 -64.3 -42.1 13.2 -31.3 -21.0 167 154 A I H X S+ 0 0 2 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.897 111.9 53.0 -73.8 -40.7 9.5 -32.1 -21.5 168 155 A K H X S+ 0 0 39 -4,-3.0 4,-2.0 -5,-0.3 -1,-0.2 0.825 107.9 54.6 -56.5 -32.9 8.6 -28.5 -22.2 169 156 A D H X S+ 0 0 87 -4,-1.5 4,-2.6 -5,-0.3 -2,-0.2 0.850 104.5 50.7 -74.9 -33.2 11.4 -28.7 -24.8 170 157 A L H X S+ 0 0 4 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.875 107.6 56.1 -64.7 -35.2 9.7 -31.8 -26.4 171 158 A A H < S+ 0 0 1 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.929 111.8 42.0 -62.6 -48.4 6.5 -29.7 -26.5 172 159 A V H >< S+ 0 0 92 -4,-2.0 3,-1.2 2,-0.2 4,-0.2 0.943 114.1 50.6 -60.2 -51.9 8.3 -26.9 -28.5 173 160 A Q H 3< S+ 0 0 87 -4,-2.6 3,-0.2 1,-0.3 -2,-0.2 0.872 124.3 29.5 -55.0 -38.8 10.2 -29.3 -30.8 174 161 A Y T >< S+ 0 0 19 -4,-2.2 20,-2.1 -5,-0.2 3,-1.9 0.157 80.8 127.0-112.5 18.5 7.0 -31.2 -31.6 175 162 A R T < S+ 0 0 80 -3,-1.2 20,-0.3 1,-0.3 -1,-0.2 0.805 82.3 30.8 -47.8 -38.8 4.4 -28.4 -31.3 176 163 A D T 3 S+ 0 0 79 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.241 84.9 116.3-116.0 13.1 2.8 -28.9 -34.7 177 164 A I < - 0 0 8 -3,-1.9 16,-2.6 285,-0.0 17,-0.3 -0.762 64.6-130.6 -85.1 110.5 3.3 -32.6 -35.4 178 165 A P E -A 192 0A 20 0, 0.0 2,-0.4 0, 0.0 14,-0.3 -0.283 23.3-165.5 -65.8 147.6 -0.2 -34.1 -35.6 179 166 A L E -A 191 0A 3 12,-2.4 12,-2.0 275,-0.1 2,-0.9 -0.997 25.7-126.1-132.4 130.1 -1.0 -37.2 -33.6 180 167 A L E - 0 0 1 -2,-0.4 9,-0.1 10,-0.2 275,-0.0 -0.678 41.1-137.9 -70.1 109.2 -3.9 -39.7 -33.9 181 168 A S E -A 188 0A 21 -2,-0.9 7,-2.4 7,-0.7 2,-0.4 -0.273 11.3-145.0 -65.1 157.8 -5.0 -39.5 -30.2 182 169 A R E +A 187 0A 97 5,-0.2 2,-0.4 7,-0.0 3,-0.2 -0.972 18.1 177.3-129.0 123.8 -6.0 -42.7 -28.4 183 170 A T E > S+A 186 0A 80 3,-2.1 3,-2.1 -2,-0.4 -2,-0.0 -0.979 85.9 2.2-122.6 134.6 -8.8 -42.9 -25.8 184 171 A H T 3 S- 0 0 187 -2,-0.4 -1,-0.2 1,-0.3 0, 0.0 0.763 132.7 -68.0 57.6 24.2 -9.5 -46.4 -24.4 185 172 A G T 3 S+ 0 0 43 1,-0.2 -1,-0.3 -3,-0.2 3,-0.0 0.443 112.4 119.4 78.4 1.2 -6.6 -47.2 -26.7 186 173 A Q E < S-A 183 0A 124 -3,-2.1 -3,-2.1 1,-0.1 -1,-0.2 -0.753 77.1 -85.6-106.7 146.0 -8.8 -46.5 -29.8 187 174 A P E +A 182 0A 46 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.174 61.3 162.8 -45.7 125.1 -8.3 -43.8 -32.6 188 175 A A E -A 181 0A 19 -7,-2.4 -7,-0.7 1,-0.1 209,-0.1 -0.803 44.6 -37.0-140.0 179.5 -9.8 -40.5 -31.5 189 176 A T E S- 0 0 50 -2,-0.3 -1,-0.1 -9,-0.1 -8,-0.1 -0.113 73.5-109.0 -44.1 124.1 -9.8 -36.8 -32.2 190 177 A P E + 0 0 8 0, 0.0 -10,-0.2 0, 0.0 2,-0.2 -0.129 40.5 170.2 -59.5 154.5 -6.3 -35.7 -33.2 191 178 A S E -A 179 0A 13 -12,-2.0 -12,-2.4 -14,-0.1 2,-0.3 -0.557 36.0 -96.1-134.3-159.1 -3.9 -33.6 -31.2 192 179 A T E > -A 178 0A 0 -14,-0.3 4,-1.9 -2,-0.2 5,-0.2 -0.955 22.5-121.7-124.3 156.1 -0.2 -32.8 -31.6 193 180 A I H > S+ 0 0 2 -16,-2.6 4,-1.7 -2,-0.3 -18,-0.2 0.903 114.9 55.3 -53.1 -46.4 2.8 -34.6 -30.1 194 181 A G H > S+ 0 0 0 -20,-2.1 4,-2.7 -17,-0.3 -1,-0.2 0.865 104.4 52.0 -58.9 -39.0 3.8 -31.2 -28.6 195 182 A K H > S+ 0 0 40 -20,-0.3 4,-2.0 -21,-0.3 -1,-0.2 0.902 106.3 54.0 -67.7 -38.8 0.4 -30.7 -26.9 196 183 A E H X S+ 0 0 54 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.873 111.3 45.9 -60.6 -35.6 0.6 -34.1 -25.3 197 184 A M H X S+ 0 0 5 -4,-1.7 4,-2.4 2,-0.2 3,-0.3 0.903 107.7 58.2 -69.1 -45.4 4.0 -33.1 -23.8 198 185 A A H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.900 101.0 56.1 -52.4 -41.2 2.6 -29.7 -22.7 199 186 A N H X S+ 0 0 61 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.899 109.4 45.9 -59.0 -44.2 -0.0 -31.4 -20.6 200 187 A V H X S+ 0 0 9 -4,-1.0 4,-2.4 -3,-0.3 -1,-0.2 0.915 110.8 51.6 -66.4 -45.2 2.6 -33.4 -18.7 201 188 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.913 108.5 52.7 -56.9 -43.4 4.9 -30.4 -18.2 202 189 A Y H X S+ 0 0 152 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.898 109.8 48.3 -60.5 -45.3 1.9 -28.4 -16.8 203 190 A R H X S+ 0 0 95 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.885 110.5 51.2 -59.7 -44.3 1.1 -31.1 -14.3 204 191 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.889 104.6 56.7 -63.0 -39.9 4.8 -31.4 -13.1 205 192 A E H X S+ 0 0 48 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.802 101.2 57.8 -62.5 -31.9 5.0 -27.6 -12.6 206 193 A R H X S+ 0 0 125 -4,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.912 109.8 43.6 -63.6 -42.4 2.1 -27.7 -10.2 207 194 A Q H X S+ 0 0 9 -4,-1.2 4,-3.0 2,-0.2 -2,-0.2 0.863 108.8 57.7 -73.0 -36.2 3.9 -30.2 -8.0 208 195 A Y H X S+ 0 0 46 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.943 108.8 46.4 -54.7 -50.8 7.2 -28.3 -8.3 209 196 A R H X S+ 0 0 164 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.906 113.1 49.9 -55.8 -45.3 5.4 -25.3 -6.8 210 197 A Q H X S+ 0 0 48 -4,-1.8 4,-1.0 1,-0.2 3,-0.4 0.894 106.1 54.3 -66.5 -38.6 3.9 -27.5 -4.1 211 198 A L H >< S+ 0 0 2 -4,-3.0 3,-0.7 1,-0.2 -1,-0.2 0.917 107.7 51.5 -62.4 -42.1 7.2 -29.1 -3.0 212 199 A N H 3< S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.784 108.7 52.7 -58.9 -30.0 8.7 -25.6 -2.5 213 200 A Q H 3< S+ 0 0 117 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.641 81.0 110.0 -84.1 -17.5 5.7 -24.7 -0.3 214 201 A V S << S- 0 0 18 -4,-1.0 2,-0.2 -3,-0.7 52,-0.0 -0.415 71.9-123.5 -63.9 131.1 6.0 -27.6 2.0 215 202 A E - 0 0 101 -2,-0.1 2,-0.6 37,-0.0 55,-0.2 -0.495 13.7-149.6 -69.7 137.2 7.1 -26.5 5.5 216 203 A I - 0 0 2 -2,-0.2 37,-2.3 54,-0.0 2,-0.3 -0.963 26.5-160.6-110.4 117.5 10.3 -28.2 6.8 217 204 A L E +b 253 0B 22 -2,-0.6 2,-0.3 35,-0.2 37,-0.2 -0.680 19.1 172.6-110.8 154.9 9.9 -28.3 10.6 218 205 A G E -b 254 0B 0 35,-2.0 37,-2.7 -2,-0.3 2,-0.3 -0.970 7.3-166.2-152.6 159.2 12.1 -28.6 13.5 219 206 A K - 0 0 0 -2,-0.3 2,-0.3 35,-0.2 -77,-0.2 -0.962 11.9-170.1-142.1 161.3 11.9 -28.4 17.3 220 207 A I + 0 0 2 -2,-0.3 27,-0.1 35,-0.2 26,-0.1 -0.828 38.7 121.1-152.9 116.4 14.1 -28.2 20.3 221 208 A N - 0 0 0 -2,-0.3 6,-2.8 1,-0.2 7,-0.4 0.302 62.8 -99.9-166.6 15.5 12.5 -28.6 23.8 222 209 A G > - 0 0 0 1,-0.2 3,-0.8 3,-0.2 -1,-0.2 -0.160 67.5 -25.3 89.5-176.1 13.8 -31.5 25.9 223 210 A A T 3 S+ 0 0 51 -90,-0.3 -1,-0.2 1,-0.3 -86,-0.1 0.688 137.0 6.5 -50.6 -40.4 12.8 -35.0 26.8 224 211 A V T 3 S- 0 0 55 -3,-0.3 36,-0.3 35,-0.1 -1,-0.3 0.236 112.8 -88.4-134.1 13.1 9.0 -34.7 26.2 225 212 A G S < S+ 0 0 6 -3,-0.8 33,-0.3 -4,-0.3 -3,-0.2 0.467 102.2 92.9 104.7 3.7 8.5 -31.3 24.7 226 213 A N S S- 0 0 102 -5,-0.1 -4,-0.2 31,-0.1 -3,-0.1 0.198 89.4-116.5-120.2 13.0 8.1 -29.0 27.8 227 214 A Y > + 0 0 23 -6,-2.8 4,-2.7 1,-0.1 5,-0.3 0.776 59.6 153.8 56.0 28.3 11.6 -27.7 28.5 228 215 A N H > S+ 0 0 94 -7,-0.4 4,-1.9 1,-0.2 5,-0.1 0.921 70.3 40.0 -55.4 -50.4 11.5 -29.5 31.9 229 216 A A H > S+ 0 0 52 -96,-0.3 4,-2.0 2,-0.2 5,-0.3 0.906 114.4 54.3 -68.6 -40.0 15.3 -29.9 32.3 230 217 A H H > S+ 0 0 1 -97,-0.3 4,-3.1 1,-0.2 -1,-0.2 0.933 112.0 43.5 -57.2 -48.6 16.0 -26.4 30.9 231 218 A I H < S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.817 107.8 59.7 -70.5 -32.7 13.6 -24.8 33.5 232 219 A A H < S+ 0 0 85 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.903 119.4 28.5 -58.9 -43.7 15.0 -26.9 36.3 233 220 A A H < S+ 0 0 57 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.838 138.2 23.1 -87.2 -39.3 18.5 -25.5 35.8 234 221 A Y >< + 0 0 28 -4,-3.1 3,-1.4 -5,-0.3 -1,-0.2 -0.615 63.0 164.4-130.6 71.5 17.7 -22.1 34.4 235 222 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.706 75.9 57.7 -62.9 -18.5 14.2 -21.1 35.4 236 223 A E T 3 S+ 0 0 102 -171,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.585 85.3 93.4 -93.1 -5.8 14.8 -17.4 34.5 237 224 A V S < S- 0 0 14 -3,-1.4 2,-1.4 -7,-0.2 3,-0.1 -0.640 79.2-126.8 -86.2 139.9 15.6 -18.1 30.8 238 225 A D > + 0 0 91 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.716 34.0 175.4 -84.9 90.3 12.8 -17.8 28.2 239 226 A W H > S+ 0 0 7 -2,-1.4 4,-3.0 2,-0.2 -1,-0.2 0.776 72.8 62.8 -70.8 -25.9 13.4 -21.3 26.7 240 227 A H H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 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3,-0.2 -2,-0.1 -2,-0.1 -0.146 130.8 -5.4 50.7-132.2 2.5 -41.9 23.6 347 334 A Q T 3 S- 0 0 108 1,-0.3 -87,-1.6 -88,-0.1 -86,-0.5 0.503 134.4 -55.4 -80.1 -3.7 5.4 -39.5 23.9 348 335 A R < - 0 0 43 -3,-2.5 2,-0.3 -88,-0.1 -1,-0.3 -0.370 42.8-143.9 155.6 157.4 7.2 -41.6 21.3 349 336 A D > - 0 0 19 -3,-0.2 3,-0.6 -2,-0.1 4,-0.1 -0.857 31.8-115.8-123.1 168.8 8.4 -45.1 20.5 350 337 A L T >> S+ 0 0 118 -2,-0.3 3,-0.9 1,-0.2 4,-0.8 0.340 87.8 99.3 -91.8 5.3 11.7 -45.9 18.7 351 338 A T H 3> S+ 0 0 48 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.854 78.3 60.9 -59.5 -33.8 10.3 -47.5 15.5 352 339 A D H <> S+ 0 0 1 -3,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.795 92.1 67.0 -63.9 -30.7 10.8 -44.1 13.7 353 340 A S H <> S+ 0 0 25 -3,-0.9 4,-0.5 1,-0.2 -1,-0.2 0.942 106.8 37.2 -55.6 -52.8 14.6 -44.1 14.3 354 341 A T H >< S+ 0 0 89 -4,-0.8 3,-0.6 1,-0.2 -1,-0.2 0.863 117.2 52.8 -70.9 -32.2 15.3 -47.1 12.0 355 342 A V H >< S+ 0 0 22 -4,-1.3 3,-2.0 1,-0.2 -2,-0.2 0.905 103.5 56.7 -67.7 -40.3 12.7 -46.1 9.5 356 343 A L H >< S+ 0 0 4 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.609 90.9 72.4 -68.7 -15.3 14.2 -42.5 9.2 357 344 A R T << S+ 0 0 89 -3,-0.6 -1,-0.3 -4,-0.5 3,-0.3 0.593 92.9 60.3 -69.0 -11.0 17.5 -44.1 8.2 358 345 A N T X> + 0 0 64 -3,-2.0 4,-1.3 1,-0.2 3,-0.7 0.238 66.9 106.4-100.4 10.2 15.7 -44.8 5.0 359 346 A L H <> S+ 0 0 1 -3,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.938 84.4 48.0 -54.9 -42.9 14.8 -41.2 4.0 360 347 A G H 3> S+ 0 0 9 -3,-0.3 4,-2.5 -320,-0.3 -1,-0.2 0.723 101.8 65.3 -72.0 -20.5 17.5 -41.4 1.3 361 348 A V H <> S+ 0 0 38 -3,-0.7 4,-2.3 2,-0.2 5,-0.2 0.953 104.0 42.0 -66.7 -55.1 16.3 -44.8 -0.0 362 349 A G H X S+ 0 0 0 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.920 119.8 46.2 -57.6 -45.4 12.9 -43.6 -1.3 363 350 A I H X S+ 0 0 3 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.868 108.2 58.2 -65.2 -37.3 14.6 -40.5 -2.7 364 351 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.936 104.7 48.9 -57.9 -52.5 17.4 -42.6 -4.2 365 352 A Y H X S+ 0 0 32 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.903 111.2 50.9 -56.0 -43.8 15.1 -44.7 -6.3 366 353 A A H X S+ 0 0 2 -4,-1.5 4,-2.6 -5,-0.2 -1,-0.2 0.929 109.1 50.3 -60.9 -43.7 13.4 -41.5 -7.6 367 354 A L H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.881 108.8 51.9 -63.3 -40.4 16.8 -39.9 -8.5 368 355 A I H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.923 111.6 47.6 -60.3 -43.6 17.8 -43.0 -10.4 369 356 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.904 108.0 54.7 -62.8 -43.2 14.4 -42.8 -12.3 370 357 A Y H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.923 109.5 47.3 -59.6 -42.5 14.8 -39.1 -13.1 371 358 A Q H X S+ 0 0 42 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.893 111.9 50.5 -66.8 -41.0 18.2 -39.7 -14.7 372 359 A S H X S+ 0 0 16 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.929 109.0 49.6 -61.9 -47.5 16.9 -42.6 -16.7 373 360 A T H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.948 111.2 51.9 -57.2 -46.0 13.9 -40.6 -18.0 374 361 A L H X S+ 0 0 39 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.926 110.6 47.5 -57.5 -43.4 16.4 -37.9 -19.0 375 362 A K H X S+ 0 0 107 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.935 112.5 48.5 -60.6 -47.4 18.5 -40.4 -20.8 376 363 A G H >< S+ 0 0 2 -4,-3.0 3,-1.0 1,-0.2 4,-0.4 0.906 109.0 53.5 -63.3 -39.1 15.6 -41.9 -22.7 377 364 A V H >< S+ 0 0 23 -4,-2.9 3,-1.8 1,-0.2 -1,-0.2 0.912 101.6 59.0 -61.5 -40.6 14.3 -38.4 -23.7 378 365 A S H 3< S+ 0 0 82 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.703 105.5 52.6 -64.8 -16.6 17.7 -37.5 -25.2 379 366 A K T << S+ 0 0 21 -3,-1.0 -79,-2.5 -4,-0.7 -1,-0.3 0.526 81.9 117.3 -95.0 -7.0 17.3 -40.5 -27.5 380 367 A L E < +C 299 0C 15 -3,-1.8 2,-0.4 -4,-0.4 -81,-0.2 -0.432 34.8 178.0 -69.3 134.0 13.8 -39.7 -28.9 381 368 A E E -C 298 0C 96 -83,-2.8 -83,-3.4 -2,-0.2 2,-0.1 -0.981 28.1-128.4-131.5 118.7 13.3 -39.1 -32.7 382 369 A V E -C 297 0C 20 -2,-0.4 2,-0.9 -85,-0.2 -85,-0.3 -0.405 9.3-141.6 -68.8 139.4 9.8 -38.4 -33.8 383 370 A N > + 0 0 19 -87,-3.1 4,-2.4 1,-0.2 3,-0.3 -0.740 26.8 171.3-100.7 80.5 8.6 -40.5 -36.8 384 371 A R H > S+ 0 0 129 -2,-0.9 4,-2.6 1,-0.2 5,-0.3 0.873 75.2 57.7 -60.7 -40.0 6.5 -38.0 -38.8 385 372 A D H > S+ 0 0 132 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 110.6 42.8 -57.4 -43.3 6.1 -40.3 -41.7 386 373 A H H > S+ 0 0 53 -3,-0.3 4,-2.5 -91,-0.2 5,-0.2 0.938 112.9 52.2 -68.5 -47.0 4.4 -42.9 -39.5 387 374 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.921 114.6 42.4 -54.7 -45.3 2.3 -40.4 -37.6 388 375 A L H X S+ 0 0 77 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.846 111.6 53.3 -71.8 -40.2 0.9 -38.9 -40.8 389 376 A D H < S+ 0 0 91 -4,-1.8 4,-0.4 -5,-0.3 -1,-0.2 0.916 109.9 48.9 -62.7 -42.4 0.4 -42.2 -42.5 390 377 A E H >< S+ 0 0 27 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.940 109.7 51.1 -60.2 -49.4 -1.7 -43.5 -39.6 391 378 A L H >< S+ 0 0 1 -4,-2.1 3,-2.2 1,-0.3 -2,-0.2 0.934 105.0 58.6 -52.2 -44.4 -3.8 -40.3 -39.5 392 379 A D T 3< S+ 0 0 90 -4,-2.2 -1,-0.3 1,-0.3 37,-0.2 0.539 104.6 50.8 -68.3 -6.6 -4.4 -40.8 -43.3 393 380 A H T < S+ 0 0 125 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.192 100.6 66.7-109.8 16.0 -5.9 -44.2 -42.5 394 381 A N X + 0 0 30 -3,-2.2 3,-1.7 1,-0.1 -1,-0.1 -0.247 47.9 143.8-136.0 47.0 -8.3 -42.9 -39.9 395 382 A W G > + 0 0 32 32,-0.3 3,-2.0 1,-0.3 4,-0.1 0.661 60.2 80.8 -58.5 -19.9 -10.8 -40.7 -41.7 396 383 A E G > S+ 0 0 45 31,-0.3 3,-2.0 1,-0.3 4,-0.3 0.739 74.1 75.2 -61.6 -24.1 -13.6 -41.9 -39.4 397 384 A V G X S+ 0 0 16 -3,-1.7 3,-0.5 1,-0.3 -1,-0.3 0.608 81.7 70.6 -63.5 -12.0 -12.3 -39.4 -36.7 398 385 A L G <> S+ 0 0 4 -3,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.504 73.3 87.4 -81.7 -0.7 -14.0 -36.7 -38.9 399 386 A A H <> S+ 0 0 14 -3,-2.0 4,-2.8 1,-0.2 5,-0.2 0.923 84.8 56.3 -60.3 -41.2 -17.4 -38.0 -37.8 400 387 A E H <> S+ 0 0 81 -3,-0.5 4,-1.9 -4,-0.3 -1,-0.2 0.940 109.9 39.2 -57.5 -57.9 -17.2 -35.8 -34.7 401 388 A P H > S+ 0 0 9 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.892 115.6 54.0 -65.2 -36.2 -16.7 -32.4 -36.5 402 389 A I H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.960 111.7 44.3 -57.1 -52.3 -19.2 -33.4 -39.2 403 390 A Q H X S+ 0 0 23 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.832 113.7 51.1 -63.7 -31.3 -21.9 -34.2 -36.6 404 391 A T H X S+ 0 0 73 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.888 110.2 47.5 -74.0 -41.9 -21.2 -31.0 -34.6 405 392 A V H X S+ 0 0 21 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.915 110.8 53.7 -61.0 -42.8 -21.4 -28.8 -37.7 406 393 A M H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 -2,-0.2 0.876 106.7 51.7 -57.8 -39.5 -24.7 -30.6 -38.5 407 394 A R H ><5S+ 0 0 157 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.886 106.7 53.6 -61.8 -44.0 -26.0 -29.8 -35.0 408 395 A R H 3<5S+ 0 0 184 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.935 112.5 44.5 -57.7 -43.8 -25.2 -26.1 -35.5 409 396 A Y T 3<5S- 0 0 66 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.060 115.3-107.9 -99.4 23.7 -27.2 -26.0 -38.7 410 397 A G T < 5 + 0 0 67 -3,-1.2 2,-0.2 1,-0.2 -3,-0.2 0.646 57.2 159.4 70.0 20.5 -30.3 -27.9 -37.6 411 398 A I < - 0 0 28 -5,-2.3 -1,-0.2 -6,-0.1 2,-0.1 -0.580 47.0-106.0 -72.6 138.0 -29.9 -31.2 -39.4 412 399 A E S S- 0 0 156 -2,-0.2 5,-0.1 1,-0.2 -1,-0.1 -0.414 87.2 -9.0 -68.6 138.6 -32.0 -34.0 -37.7 413 400 A K S > S+ 0 0 140 -2,-0.1 4,-2.4 3,-0.1 -1,-0.2 0.828 71.8 171.0 48.5 54.4 -30.2 -36.7 -35.7 414 401 A P H > S+ 0 0 14 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.918 74.9 45.1 -65.1 -46.8 -26.6 -35.8 -36.6 415 402 A Y H > S+ 0 0 114 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.937 114.1 50.0 -60.1 -49.6 -24.8 -38.1 -34.1 416 403 A E H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 109.8 51.3 -56.9 -42.6 -27.1 -41.0 -34.9 417 404 A K H X S+ 0 0 87 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.873 112.9 44.5 -64.1 -38.2 -26.5 -40.5 -38.7 418 405 A L H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 5,-0.4 0.854 109.3 55.8 -77.1 -32.6 -22.7 -40.5 -38.2 419 406 A K H X S+ 0 0 103 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.948 108.5 49.4 -58.9 -47.3 -22.9 -43.5 -35.9 420 407 A E H < S+ 0 0 149 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.890 114.8 44.7 -56.3 -45.3 -24.7 -45.4 -38.7 421 408 A L H < S+ 0 0 43 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.827 130.4 15.0 -66.2 -37.0 -22.0 -44.3 -41.2 422 409 A T H >< S+ 0 0 22 -4,-2.2 3,-2.3 -3,-0.1 2,-0.4 0.707 83.4 109.4-121.0 -29.2 -18.9 -45.1 -39.1 423 410 A R T 3< S- 0 0 191 -4,-2.3 3,-0.1 -5,-0.4 -4,-0.0 -0.424 107.0 -8.1 -69.2 115.7 -19.3 -47.3 -36.0 424 411 A G T 3 S+ 0 0 88 -2,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.668 119.1 107.6 75.2 17.9 -17.7 -50.6 -36.8 425 412 A K < - 0 0 116 -3,-2.3 2,-0.6 2,-0.0 -1,-0.2 -0.932 69.4-124.3-132.0 148.4 -17.2 -49.6 -40.4 426 413 A R + 0 0 92 -2,-0.3 2,-0.4 -3,-0.1 -32,-0.1 -0.836 33.9 171.8 -94.3 123.2 -14.3 -48.6 -42.6 427 414 A V - 0 0 17 -2,-0.6 -31,-0.3 -5,-0.1 -32,-0.3 -0.999 10.6-164.4-134.7 128.8 -14.7 -45.2 -44.3 428 415 A D > - 0 0 99 -2,-0.4 4,-2.8 -33,-0.1 5,-0.2 -0.359 42.8 -82.1-104.5-173.6 -12.1 -43.5 -46.3 429 416 A A H > S+ 0 0 36 1,-0.2 4,-2.5 -37,-0.2 5,-0.2 0.863 130.0 48.9 -57.8 -42.4 -11.6 -39.9 -47.5 430 417 A E H > S+ 0 0 102 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.884 112.1 49.9 -65.3 -38.7 -13.8 -40.5 -50.5 431 418 A G H > S+ 0 0 23 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.899 112.7 46.1 -65.8 -42.1 -16.5 -42.0 -48.3 432 419 A M H X S+ 0 0 3 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.919 113.1 50.3 -68.2 -39.8 -16.4 -39.1 -45.9 433 420 A K H X S+ 0 0 86 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.877 108.5 51.3 -66.6 -38.7 -16.5 -36.6 -48.7 434 421 A Q H X S+ 0 0 127 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.849 109.8 51.1 -68.8 -32.1 -19.5 -38.2 -50.4 435 422 A F H >< S+ 0 0 48 -4,-1.4 3,-0.6 2,-0.2 -2,-0.2 0.942 110.9 47.5 -68.2 -47.0 -21.3 -38.1 -47.1 436 423 A I H >< S+ 0 0 4 -4,-2.2 3,-1.8 1,-0.2 5,-0.2 0.894 106.8 58.7 -57.9 -43.5 -20.6 -34.4 -46.6 437 424 A D H 3< S+ 0 0 69 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.821 102.8 52.8 -58.4 -32.1 -21.7 -33.7 -50.2 438 425 A G T << S+ 0 0 72 -4,-1.1 -1,-0.3 -3,-0.6 2,-0.2 0.367 88.9 106.4 -84.5 2.1 -25.2 -35.2 -49.5 439 426 A L S < S- 0 0 16 -3,-1.8 2,-1.6 -4,-0.2 7,-0.1 -0.599 75.3-125.7 -89.2 145.8 -25.8 -33.0 -46.5 440 427 A A + 0 0 89 -2,-0.2 -1,-0.1 -34,-0.0 -2,-0.1 -0.468 65.0 131.1 -86.6 64.4 -28.1 -29.9 -46.4 441 428 A L - 0 0 16 -2,-1.6 5,-0.1 -5,-0.2 -35,-0.1 -0.775 68.8 -86.5-115.7 156.5 -25.5 -27.5 -45.2 442 429 A P >> - 0 0 63 0, 0.0 4,-2.0 0, 0.0 3,-1.1 -0.401 44.0-117.1 -59.7 142.9 -24.4 -24.1 -46.4 443 430 A E H 3> S+ 0 0 118 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.848 112.7 55.9 -51.9 -43.0 -21.8 -24.5 -49.2 444 431 A E H 3> S+ 0 0 142 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.830 109.4 47.7 -61.4 -32.2 -19.0 -22.7 -47.2 445 432 A E H <> S+ 0 0 18 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.857 110.6 50.6 -74.1 -39.5 -19.5 -25.2 -44.4 446 433 A K H X S+ 0 0 32 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.912 110.7 50.2 -61.9 -41.8 -19.4 -28.1 -46.8 447 434 A A H X S+ 0 0 45 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.888 110.1 50.4 -64.7 -40.2 -16.2 -26.7 -48.3 448 435 A R H < S+ 0 0 118 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.894 112.7 45.8 -63.8 -43.1 -14.7 -26.4 -44.8 449 436 A L H >< S+ 0 0 3 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.883 111.3 51.6 -68.7 -41.4 -15.6 -30.0 -43.9 450 437 A K H 3< S+ 0 0 61 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.781 108.1 54.2 -63.9 -29.6 -14.3 -31.3 -47.3 451 438 A A T 3< S+ 0 0 67 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.550 90.5 97.8 -77.7 -13.6 -11.0 -29.4 -46.7 452 439 A M < + 0 0 33 -3,-0.8 -54,-0.1 -4,-0.5 3,-0.1 -0.486 48.5 179.2 -79.4 154.6 -10.5 -31.1 -43.3 453 440 A T >> - 0 0 45 -2,-0.1 4,-1.4 1,-0.1 3,-0.8 -0.935 45.3-104.9-141.3 158.5 -8.2 -34.1 -42.8 454 441 A P T 34 S+ 0 0 2 0, 0.0 3,-0.5 0, 0.0 -275,-0.1 0.908 121.1 57.1 -53.4 -36.5 -7.4 -36.1 -39.8 455 442 A A T 34 S+ 0 0 28 1,-0.2 -276,-0.1 -67,-0.1 -3,-0.0 0.749 113.2 37.1 -71.8 -26.0 -4.0 -34.4 -39.8 456 443 A N T <4 S+ 0 0 82 -3,-0.8 2,-2.2 1,-0.1 3,-0.3 0.475 88.9 94.7-101.4 -2.6 -5.4 -30.8 -39.7 457 444 A Y < + 0 0 45 -4,-1.4 -1,-0.1 -3,-0.5 -5,-0.0 -0.432 50.7 121.9 -80.9 66.4 -8.3 -31.6 -37.4 458 445 A I > - 0 0 26 -2,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.329 51.2-158.6-118.0 7.0 -6.2 -30.5 -34.4 459 446 A G T 3 - 0 0 74 -3,-0.3 3,-0.3 1,-0.2 -1,-0.3 -0.182 67.1 -20.8 55.8-133.4 -8.2 -27.7 -32.8 460 447 A R T 3> S+ 0 0 128 1,-0.2 4,-2.4 2,-0.1 3,-0.3 0.272 97.2 120.3 -95.9 12.3 -6.3 -25.3 -30.7 461 448 A A H <> S+ 0 0 6 -3,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.824 73.6 47.1 -46.6 -51.2 -3.3 -27.7 -30.0 462 449 A I H > S+ 0 0 49 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.924 113.5 46.7 -62.8 -47.6 -0.5 -25.6 -31.5 463 450 A T H > S+ 0 0 65 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.888 109.3 56.1 -62.7 -37.9 -1.6 -22.3 -29.7 464 451 A M H X S+ 0 0 77 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.913 108.4 47.7 -55.6 -46.9 -2.0 -24.2 -26.4 465 452 A V H >< S+ 0 0 8 -4,-1.9 3,-1.4 -5,-0.2 -2,-0.2 0.950 111.0 51.3 -61.5 -46.9 1.7 -25.3 -26.7 466 453 A D H 3< S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.798 108.5 52.2 -59.7 -29.2 2.7 -21.7 -27.6 467 454 A E H 3< S+ 0 0 109 -4,-1.8 -1,-0.3 -5,-0.2 2,-0.2 0.556 83.0 118.3 -87.2 -7.3 0.9 -20.4 -24.5 468 455 A L << 0 0 43 -3,-1.4 -3,-0.0 -4,-0.6 -270,-0.0 -0.434 360.0 360.0 -68.6 127.6 2.6 -22.8 -22.1 469 456 A K 0 0 133 -2,-0.2 -1,-0.2 -267,-0.0 -2,-0.0 0.759 360.0 360.0 101.3 360.0 4.8 -21.3 -19.3